4-[3-(dimethylamino)-2,2-dimethylpropyl]iminopentan-2-one

C12H24N2O — CID 123933727

IUPAC4-[3-(dimethylamino)-2,2-dimethylpropyl]iminopentan-2-one
SMILESCC(=O)C/C(C)=N/CC(C)(C)CN(C)C
InChIInChI=1S/C12H24N2O/c1-10(7-11(2)15)13-8-12(3,4)9-14(5)6/h7-9H2,1-6H3/b13-10+
InChIKeyIRXRWYYWTYNZED-JLHYYAGUSA-N
MW212.34 g/mol
LogP2.01
Rot. Bonds6

About 4-[3-(dimethylamino)-2,2-dimethylpropyl]iminopentan-2-one

4-[3-(dimethylamino)-2,2-dimethylpropyl]iminopentan-2-one (PubChem CID 123933727) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-[3-(dimethylamino)-2,2-dimethylpropyl]iminopentan-2-one.

Molecular Properties

Compound Name4-[3-(dimethylamino)-2,2-dimethylpropyl]iminopentan-2-one
PubChem CID123933727
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-[3-(dimethylamino)-2,2-dimethylpropyl]iminopentan-2-one
SMILESCC(=O)C/C(C)=N/CC(C)(C)CN(C)C
InChIInChI=1S/C12H24N2O/c1-10(7-11(2)15)13-8-12(3,4)9-14(5)6/h7-9H2,1-6H3/b13-10+
InChIKeyIRXRWYYWTYNZED-JLHYYAGUSA-N
XLogP2.01
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)-2,2-dimethylpropyl]iminopentan-2-one?
The IUPAC name of 4-[3-(dimethylamino)-2,2-dimethylpropyl]iminopentan-2-one (CID 123933727) is 4-[3-(dimethylamino)-2,2-dimethylpropyl]iminopentan-2-one.
What is the SMILES notation for 4-[3-(dimethylamino)-2,2-dimethylpropyl]iminopentan-2-one?
The canonical SMILES for 4-[3-(dimethylamino)-2,2-dimethylpropyl]iminopentan-2-one is CC(=O)C/C(C)=N/CC(C)(C)CN(C)C.
What is the InChIKey of 4-[3-(dimethylamino)-2,2-dimethylpropyl]iminopentan-2-one?
The InChIKey is IRXRWYYWTYNZED-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(7-11(2)15)13-8-12(3,4)9-14(5)6/h7-9H2,1-6H3/b13-10+.
What are the key properties of 4-[3-(dimethylamino)-2,2-dimethylpropyl]iminopentan-2-one?
4-[3-(dimethylamino)-2,2-dimethylpropyl]iminopentan-2-one has a molecular weight of 212.34 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)-2,2-dimethylpropyl]iminopentan-2-one is sourced from PubChem (CID 123933727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).